2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-ethylquinazolin-4-one

C26H21N3O2 — CID 2870093

IUPAC2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-ethylquinazolin-4-one
SMILESCCn1c(C=C2C(=O)N(Cc3ccccc3)c3ccccc32)nc2ccccc2c1=O
InChIInChI=1S/C26H21N3O2/c1-2-28-24(27-22-14-8-6-13-20(22)25(28)30)16-21-19-12-7-9-15-23(19)29(26(21)31)17-18-10-4-3-5-11-18/h3-16H,2,17H2,1H3
InChIKeyPHHFNZFIPPGQFV-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.50
Rot. Bonds4

About 2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-ethylquinazolin-4-one

2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-ethylquinazolin-4-one (PubChem CID 2870093) has the molecular formula C26H21N3O2 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-ethylquinazolin-4-one.

Molecular Properties

Compound Name2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-ethylquinazolin-4-one
PubChem CID2870093
Molecular FormulaC26H21N3O2
Molecular Weight407.47 g/mol
Exact Mass407.16
IUPAC Name2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-ethylquinazolin-4-one
SMILESCCn1c(C=C2C(=O)N(Cc3ccccc3)c3ccccc32)nc2ccccc2c1=O
InChIInChI=1S/C26H21N3O2/c1-2-28-24(27-22-14-8-6-13-20(22)25(28)30)16-21-19-12-7-9-15-23(19)29(26(21)31)17-18-10-4-3-5-11-18/h3-16H,2,17H2,1H3
InChIKeyPHHFNZFIPPGQFV-UHFFFAOYSA-N
XLogP4.50
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one
CID 5143715
3-ethyl-2-[(2-oxo-1-propan-2-ylindol-3-ylidene)methyl]quinazolin-4-one
CID 3732103
2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-(3-hydroxypropyl)-6-iodoquinazolin-4-one
CID 4250183
2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3-(2-nitrophenyl)quinazolin-4-one
CID 45105395
2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3-(3-methylphenyl)quinazolin-4-one
CID 5342228
3-(2-methoxyphenyl)-2-[(E)-(2-oxo-1-propylindol-3-ylidene)methyl]quinazolin-4-one
CID 39861690
2-(1-benzyl-2-oxoindol-3-ylidene)acetamide
CID 76656051
2-[(E)-(1-ethyl-2-oxoindol-3-ylidene)methyl]-3H-quinazolin-4-one
CID 135489955
(3Z)-1-benzyl-3-[(E)-3-phenylprop-2-enylidene]indol-2-one
CID 122182254
2-[(5-bromo-2-oxo-1-propylindol-3-ylidene)methyl]-3-methylquinazolin-4-one
CID 2880226
2-[2-(1-benzylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one
CID 2870092
2-[(Z)-(1,5-dimethyl-2-oxoindol-3-ylidene)methyl]-3-(2-phenylethyl)quinazolin-4-one
CID 6223414

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-ethylquinazolin-4-one?
The IUPAC name of 2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-ethylquinazolin-4-one (CID 2870093) is 2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-ethylquinazolin-4-one.
What is the SMILES notation for 2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-ethylquinazolin-4-one?
The canonical SMILES for 2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-ethylquinazolin-4-one is CCn1c(C=C2C(=O)N(Cc3ccccc3)c3ccccc32)nc2ccccc2c1=O.
What is the InChIKey of 2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-ethylquinazolin-4-one?
The InChIKey is PHHFNZFIPPGQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O2/c1-2-28-24(27-22-14-8-6-13-20(22)25(28)30)16-21-19-12-7-9-15-23(19)29(26(21)31)17-18-10-4-3-5-11-18/h3-16H,2,17H2,1H3.
What are the key properties of 2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-ethylquinazolin-4-one?
2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-ethylquinazolin-4-one has a molecular weight of 407.47 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-ethylquinazolin-4-one is sourced from PubChem (CID 2870093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).